[gmx-users] Anisotropic Pressure

[Pedro Alexandre de Araújo Gomes Lapido Loureiro]

>
>
> "The first ref_p value is the reference surface tension times the number
> of surfaces [bar nm],"
>
> I have a lipid bilayer membrane su I guess I should multiply by 2 the
> surface tension value for which I do not have any guess about its value.
>

No. If you choose, as an example, 300 bar.nm (wich, by the way, is
equivalent to 30 dyn/cm), you are saying each monolayer will experience 150
bar.nm.



 "the second value is the reference z-pressure [bar]."
>
>
> Any suggestion on how I could complete the surface tension coupling set
> up?
>

You could use the compressibility of pentadecane at 50 C (Sorry, I don't
have the reference for this value right now.)
:  9.8 E-5 bar**-1

Regards.

Pedro.
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